5-(1-adamantyl)-2-(4-chloranyl-2-methoxy-5-methyl-phenyl)isoindole-1,3-dione

Systemtic Name: 5-(1-adamantyl)-2-(4-chloranyl-2-methoxy-5-methyl-phenyl)isoindole-1,3-dione Openeye Name: 5-(1-adamantyl)-2-(4-chloro-2-methoxy-5-methyl-phenyl)isoindoline-1,3-dione CAS Name: 5-(1-adamantyl)-2-(4-chloro-2-methoxy-5-methylphenyl)isoindole-1,3-dione IUPAC Name: 5-(1-adamantyl)-2-(4-chloro-2-methoxy-5-methylphenyl)isoindole-1,3-dione Traditional Name: 5-(1-adamantyl)-2-(4-chloro-2-methoxy-5-methyl-phenyl)isoindoline-1,3-quinone Formula: C26H26ClNO3 MolecularWeight: 435.94254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=C(C2=O)C=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=C(C2=O)C=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H26ClNO3/c1-14-5-22(23(31-2)10-21(14)27)28-24(29)19-4-3-18(9-20(19)25(28)30)26-11-15-6-16(12-26)8-17(7-15)13-26/h3-5,9-10,15-17H,6-8,11-13H2,1-2H3